2-(2-methoxypropyl)-1H-pyrimidine-6-thione

C8H12N2OS — CID 106476452

IUPAC2-(2-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCOC(C)Cc1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-6(11-2)5-7-9-4-3-8(12)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,12)
InChIKeyOMQVWIAFUVVFFQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-methoxypropyl)-1H-pyrimidine-6-thione

2-(2-methoxypropyl)-1H-pyrimidine-6-thione (PubChem CID 106476452) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(2-methoxypropyl)-1H-pyrimidine-6-thione
PubChem CID106476452
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(2-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCOC(C)Cc1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-6(11-2)5-7-9-4-3-8(12)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,12)
InChIKeyOMQVWIAFUVVFFQ-UHFFFAOYSA-N
XLogP1.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(2-methoxypropyl)-1H-pyrimidine-6-thione (CID 106476452) is 2-(2-methoxypropyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(2-methoxypropyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(2-methoxypropyl)-1H-pyrimidine-6-thione is COC(C)Cc1nccc(=S)[nH]1.
What is the InChIKey of 2-(2-methoxypropyl)-1H-pyrimidine-6-thione?
The InChIKey is OMQVWIAFUVVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(11-2)5-7-9-4-3-8(12)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(2-methoxypropyl)-1H-pyrimidine-6-thione?
2-(2-methoxypropyl)-1H-pyrimidine-6-thione has a molecular weight of 184.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).